smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(N[NH+]=Cc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c([N+](=O)[O-])c2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000029492223 553845723 /nfs/dbraw/zinc/84/57/23/553845723.db2.gz OVEMPLHTJSSRKO-MWAVMZGNSA-N 2 2 607.693 4.446 10 30 KIEELP